2,3,4-TRINITROTOLUENE

Modify Date: 2025-08-24 17:27:11

2,3,4-TRINITROTOLUENE Structure
2,3,4-TRINITROTOLUENE structure
Common Name 2,3,4-TRINITROTOLUENE
CAS Number 602-29-9 Molecular Weight 227.13100
Density 1.608 g/cm3 Boiling Point 431.8ºC at 760 mmHg
Molecular Formula C7H5N3O6 Melting Point N/A
MSDS N/A Flash Point 231.5ºC

 Names

Name 2,3,4-Trinitrotoluene,1-Methyl-2,3,4-trinitrobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.608 g/cm3
Boiling Point 431.8ºC at 760 mmHg
Molecular Formula C7H5N3O6
Molecular Weight 227.13100
Flash Point 231.5ºC
Exact Mass 227.01800
PSA 137.46000
LogP 3.28920
Index of Refraction 1.637
InChIKey FPKOPBFLPLFWAD-UHFFFAOYSA-N
SMILES Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU0170000
CHEMICAL NAME :
Toluene, 2,3,4-trinitro-
CAS REGISTRY NUMBER :
602-29-9
BEILSTEIN REFERENCE NO. :
1989993
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-N3-O6
MOLECULAR WEIGHT :
227.15
WISWESSER LINE NOTATION :
WNR D1 BNW CNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
50 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 4,163,1982

 Synthetic Route

 Synonyms

2,3,4-trinitro-toluen
2,3,4-TRINITRO-METHYLBENZENE
2,3,4-Trinitro-toluol
2,3,4-TRINITROTOLUENE
1-methyl-2,3,4-trinitro-benzen
2,3,4,5,6-PENTAFLUOROPHENYL2-FLUOROBENZENESULFONATE
trinitrotoluene
1-METHYL-2,3,4-TRINITROBENZENE
Benzene,1-methyl-2,3,4-trinitro
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